Examination of the hydroperoxy radical and its closed-shell 'analogues' - the protonation sites: topological predictions and ab initio study of the protonated forms

This paper is devoted to the analysis of the potential energy surfaces of the protonated forms of the HOO, HOF and the HOOH molecules by means of ab initio methods. The places most susceptible to protonation were found. The results are in agreement with the predictions given on the basis of our previous AIM and ELF study of the molecules mentioned above. It was also checked that the protonation process in these molecules fulfilled the topological rules given by Fuster and Silvi